Name: Name:3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)aniline
Brand: Angene
SKU: AG01C382
Rating: 90 (10 reviews)

3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)aniline

CAS No.:

1305814-96-3

Catalog Number:

AG01C382

Molecular Formula:

C10H9F3N4

Molecular Weight:

242.2005

Catalog Number:

AG01C382

Chemical Name:

3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)aniline

CAS Number:

1305814-96-3

Molecular Formula:

C10H9F3N4

Molecular Weight:

242.2005

MDL Number:

MFCD13498502

IUPAC Name:

3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)aniline

InChI:

InChI=1S/C10H9F3N4/c1-5-15-9(17-16-5)6-2-7(10(11,12)13)4-8(14)3-6/h2-4H,14H2,1H3,(H,15,16,17)

InChI Key:

GOJGZQUIMGDXNT-UHFFFAOYSA-N

SMILES:

Nc1cc(cc(c1)C(F)(F)F)c1n[nH]c(n1)C

Complexity:

271

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.205g/mol

Monoisotopic Mass:

242.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3